C9Q
Summary
| Name: | 4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide |
| Formula: | C16 H14 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 299.755 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H14ClN3O/c1-2-18-16(21)14-9-13-12(6-7-19-15(13)20-14)10-4-3-5-11(17)8-10/h3-9H,2H2,1H3,(H,18,21)(H,19,20) |
| InChIKey | InChI | 1.03 | AWWOSFPXOHAONT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)c1[nH]c2nccc(c3cccc(Cl)c3)c2c1 |
| SMILES | CACTVS | 3.385 | CCNC(=O)c1[nH]c2nccc(c3cccc(Cl)c3)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCNC(=O)c1cc2c(ccnc2[nH]1)c3cccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCNC(=O)c1cc2c(ccnc2[nH]1)c3cccc(c3)Cl |
